Chemical Properties of 1-Benzocyclobutenecarbonitrile (CAS 6809-91-2)

1-Benzocyclobutenecarbonitrile

InChI
InChI=1S/C9H7N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5H2
InChI Key
FJIDKRPZJBUHME-UHFFFAOYSA-N
Formula
C9H7N
SMILES
N#CC1Cc2ccccc21
Molecular Weight1
129.16
CAS
6809-91-2
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Physical Properties

Property Value Unit Source
ω 0.4004 Relay (1.0) Calculated Property
ΔfG° 333.71 kJ/mol Joback Calculated Property
ΔfH°gas 261.33 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.46 kJ/mol Joback Calculated Property
ΔvapH° 62.72 kJ/mol Relay (1.0) Calculated Property
IE 9.24 eV Relay (1.0) Calculated Property
log10WS -2.67 Relay (1.0) Calculated Property
logPoct/wat 1.850 Crippen Calculated Property
McVol 104.430 ml/mol McGowan Calculated Property
Pc 3517.91 kPa Joback Calculated Property
Tboil 509.85 K Relay (1.0) Calculated Property
Tc 783.78 K Relay (1.0) Calculated Property
Tfus 349.60 K Relay (1.0) Calculated Property
Vc 0.383 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [228.37; 282.31] J/mol×K [541.53; 779.41] Show Hide
Cp,gas 228.37 J/mol×K 541.53 Joback Calculated Property
Cp,gas 239.31 J/mol×K 581.18 Joback Calculated Property
Cp,gas 249.36 J/mol×K 620.82 Joback Calculated Property
Cp,gas 258.61 J/mol×K 660.47 Joback Calculated Property
Cp,gas 267.12 J/mol×K 700.12 Joback Calculated Property
Cp,gas 275.00 J/mol×K 739.76 Joback Calculated Property
Cp,gas 282.31 J/mol×K 779.41 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 374.50 ± 1.50 K 0.40 NIST

Similar Compounds

Naphthalene, 1,2,3,4-tetrahydro-2-phenyl-. Benzene, 1,1'-(1-methyl-1,2-ethanediyl)bis-. Butriptyline. Hydroxyamitryptyline. 5-Methoxyindane. 1H-Indene, 1-phenylmethyl. 1,3-Benzenediol, 4-[(3R)-3,4-dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-. Hispaglabridin B. Benzobicyclo[2.2.0]hexa-2,5-diene. Glutarimide, N-(1,2,3,4-tetrahydronaphth-1-yl)-. 4'-O-Methylglabridin. 6,7;7,10-Bisepoxy-6,7-seco-calamenene. Ramelteon. Dimetindene. [3-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-methyl-propyl]-methyl-amine.

Find more compounds similar to 1-Benzocyclobutenecarbonitrile.

Sources

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